CID 3590085

883797-57-7

Structural Information

Molecular Formula
C7H12ClNO3S
SMILES
C1CS(=O)(=O)CCN1C(=O)CCCl
InChI
InChI=1S/C7H12ClNO3S/c8-2-1-7(10)9-3-5-13(11,12)6-4-9/h1-6H2
InChIKey
NGZQOLAUDIEOHC-UHFFFAOYSA-N
Compound name
3-chloro-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.02264 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02992 141.2
[M+Na]+ 248.01186 149.1
[M-H]- 224.01536 143.3
[M+NH4]+ 243.05646 161.2
[M+K]+ 263.98580 146.2
[M+H-H2O]+ 208.01990 137.1
[M+HCOO]- 270.02084 151.2
[M+CH3COO]- 284.03649 181.2
[M+Na-2H]- 245.99731 143.7
[M]+ 225.02209 142.9
[M]- 225.02319 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.